(1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-hydroxyethylamino)benzoate

Systemtic Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-hydroxyethylamino)benzoate Openeye Name: (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl 2-(2-hydroxyethylamino)benzoate CAS Name: 2-(2-hydroxyethylamino)benzoic acid (1-butyl-5-sulfamoyl-2-benzimidazolyl)methyl ester IUPAC Name: (1-butyl-5-sulfamoylbenzimidazol-2-yl)methyl 2-(2-hydroxyethylamino)benzoate Traditional Name: 2-(2-hydroxyethylamino)benzoic acid (1-butyl-5-sulfamoyl-benzimidazol-2-yl)methyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=CC=C3NCCO

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1COC(=O)C3=CC=CC=C3NCCO

InChI

InChI=1S/C21H26N4O5S/c1-2-3-11-25-19-9-8-15(31(22,28)29)13-18(19)24-20(25)14-30-21(27)16-6-4-5-7-17(16)23-10-12-26/h4-9,13,23,26H,2-3,10-12,14H2,1H3,(H2,22,28,29)